1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole

C12H15F3OSi — CID 135001952

IUPAC1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole
SMILESCC[Si]1(CC)OCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H15F3OSi/c1-3-17(4-2)11-6-5-10(12(13,14)15)7-9(11)8-16-17/h5-7H,3-4,8H2,1-2H3
InChIKeyREUPMAGXFZKEHL-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.43
Rot. Bonds2

About 1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole

1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole (PubChem CID 135001952) has the molecular formula C12H15F3OSi and a molecular weight of 260.33 g/mol. Its IUPAC name is 1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole.

Molecular Properties

Compound Name1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole
PubChem CID135001952
Molecular FormulaC12H15F3OSi
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC Name1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole
SMILESCC[Si]1(CC)OCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H15F3OSi/c1-3-17(4-2)11-6-5-10(12(13,14)15)7-9(11)8-16-17/h5-7H,3-4,8H2,1-2H3
InChIKeyREUPMAGXFZKEHL-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,1-Dimethyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 13085174
5-(Trifluoromethyl)benzo[c][1,2]oxaborol-1(3h)-ol
CID 11846116
2,2-Difluoro-1-phenyl-1-trimethylsiloxyethene
CID 10889667
Silane, triethyl(phenylmethoxy)-
CID 563229
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
2,2,2-Trifluoro-1-phenylethyl trimethylsilyl ether
CID 11218868
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
Silane, (1,1-dimethylethyl)dimethyl(phenylmethoxy)-
CID 596642
2-Fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91728155
Trimethyl-[1-[3-(trifluoromethyl)phenyl]ethenoxy]silane
CID 11065180
tert-Butyldimethyl((4-(trifluoromethyl)benzyl)oxy)silane
CID 11277728
Dimethyl-prop-2-enyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
CID 11666259

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole?
The IUPAC name of 1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole (CID 135001952) is 1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole.
What is the SMILES notation for 1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole?
The canonical SMILES for 1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole is CC[Si]1(CC)OCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole?
The InChIKey is REUPMAGXFZKEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3OSi/c1-3-17(4-2)11-6-5-10(12(13,14)15)7-9(11)8-16-17/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole?
1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole has a molecular weight of 260.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole is sourced from PubChem (CID 135001952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).